Molecule Details
| InChIKey | LKHNWNJXVYAMBI-ODIAZMNBSA-N |
|---|---|
| Compound Name | H-Gly-Cys(1)-Cys(2)-Ser-His-Pro-Ala-Cys(1)-Asn-Val-Asn-Asn-Pro-His-Ile-Cys(2)-NH2 |
| Canonical SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.12 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 7.5 | IC50 | ChEMBL;BindingDB |
| P30926 | CHRNB4 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | IC50 | ChEMBL |
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | IC50 | ChEMBL;BindingDB |
| P36544 | CHRNA7 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | IC50 | ChEMBL;BindingDB |